CID 225526

2-bromo-n-(4-bromophenyl)acetamide

Structural Information

Molecular Formula

C₈H₇Br₂NO

SMILES

C1=CC(=CC=C1NC(=O)CBr)Br

InChI

InChI=1S/C8H7Br2NO/c9-5-8(12)11-7-3-1-6(10)2-4-7/h1-4H,5H2,(H,11,12)

InChIKey

FDPCSKPUJUALLE-UHFFFAOYSA-N

Compound name

2-bromo-N-(4-bromophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 290.88943 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.89671	140.4
[M+Na]+	313.87865	150.3
[M-H]-	289.88215	147.0
[M+NH4]+	308.92325	159.3
[M+K]+	329.85259	134.6
[M+H-H2O]+	273.88669	147.5
[M+HCOO]-	335.88763	157.3
[M+CH3COO]-	349.90328	203.1
[M+Na-2H]-	311.86410	147.7
[M]+	290.88888	173.4
[M]-	290.88998	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe